Information card for entry 4129237

Structure parameters

• Common name: [PhBPiPr3]CoSSiPh3
• Formula: C45 H68 B Co P3 S Si
• Calculated formula: C45 H68 B Co P3 S Si
• SMILES: [Co]12(S[Si](c3ccccc3)(c3ccccc3)c3ccccc3)[P](C[B](c3ccccc3)(C[P]1(C(C)C)C(C)C)C[P]2(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.
• Authors of publication: Jenkins, David M.; Peters, Jonas C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 19
• Pages of publication: 7148 - 7165
• a: 10.3161 ± 0.0004 Å
• b: 14.4678 ± 0.0006 Å
• c: 29.963 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4472 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.37
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No